Compound Detail
CHEMBL1507325
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1507325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMVFPFBLMWTPAM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.22
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.44 | 6.44 | 362.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 5.3 | 5.3 | 4958.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.145 | 7120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 362.0 | nM | 6.44 | Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assesse... | 28471656 |
| H9c2 | IC50 | = | 4958.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 7120.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 7250.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28471656 | 10.1021/acs.jmedchem.7b00441 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
Data from ChEMBL 36 via Core Engine